2,4-Dichloro-6-isopropylamino-1,3,5-triazine

Base Information

• Chemical Name: 2,4-Dichloro-6-isopropylamino-1,3,5-triazine
• CAS No.: 3703-10-4
• Molecular Formula: C6H8Cl2N4
• Molecular Weight: 207.062
• Hs Code.: 2933699090
• NSC Number: 344238
• DSSTox Substance ID: DTXSID20190533
• Nikkaji Number: J33.224K
• Wikidata: Q83062924
• Mol file: 3703-10-4.mol

Synonyms:s-Triazine,2,4-dichloro-6-(isopropylamino)- (6CI,7CI,8CI);2,4-Dichloro-6-[(1-methylethyl)amino]-1,3,5-triazine;2,4-Dichloro-6-isopropylamino-1,3,5-triazine;2,4-Dichloro-6-isopropylamino-s-triazine;2,6-Dichloro-4-isopropylamino-s-triazine;N-Isopropylaminodichlorotriazine;NSC344238;s-Dichloroisopropylaminotriazine;

Chemical Property of 2,4-Dichloro-6-isopropylamino-1,3,5-triazine

Chemical Property:

• Vapor Pressure: 2.32E-05mmHg at 25°C
• Melting Point: 45 °C
• Refractive Index: 1.588
• Boiling Point: 359.8 °C at 760mmHg
• PKA: 0.89±0.10(Predicted)
• Flash Point: 171.4 °C
• PSA: 50.70000
• Density: 1.419 g/cm³
• LogP: 2.07170
• Solubility.: Chloroform, Dichloromethane, Dimethylformamide, Ethyl Acetate, Tetrahydrofuran
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 206.0126017
• Heavy Atom Count: 12
• Complexity: 134

Purity/Quality:

99%, ^*data from raw suppliers

2,4-Dichloro-6-isopropylamino-1,3,5-triazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NC1=NC(=NC(=N1)Cl)Cl
• Uses: 2,4-Dichloro-6-isopropylamino-1,3,5-triazine is an intermediate in the synthesis of Atrazine-d5 (A794602). Atrazine-d5 is a labelled selective herbicide. Potential symptoms of overexposure are irritation of eyes and skin; dermatitis, skin sensitization; dyspnea, weakness, incoordination, salivation; hypothermia and liver injury.

Technology Process of 2,4-Dichloro-6-isopropylamino-1,3,5-triazine

There total 3 articles about 2,4-Dichloro-6-isopropylamino-1,3,5-triazine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.4%

1,3,5-trichloro-2,4,6-triazine (108-77-0) + isopropylamine (75-31-0) → 2,4-dichloro-6-isopropylamino-1,3,5-triazine (3703-10-4)

Guidance literature:

In tetrahydrofuran; at -10 - 20 ℃; for 0.5h;

DOI:10.1021/jf203383s

Reference yield:

1,3,5-trichloro-2,4,6-triazine (108-77-0) + isopropylamine (75-31-0) → 2,4-dichloro-6-isopropylamino-1,3,5-triazine (3703-10-4) + Petroleum ether

Guidance literature:

With sodium hydroxide; In ethyl acetate;

Reference yield:

→ 2,4-dichloro-6-isopropylamino-1,3,5-triazine (3703-10-4)

Guidance literature:

/BRN= 135426/;

upstream raw materials:

1,3,5-trichloro-2,4,6-triazine

isopropylamine

Downstream raw materials:

2-chloro-4-(isoprpylamino)-6-(carboxymethylamino)-s-triazine

2-isopropylamino-4-((3-phenyl-1,2-oxazol-5-yl)methylamino)-6-methylthio-1,3,5-triazine

2-isopropylamino-4-(p-fluorobenzylamino)-6-methylthio-1,3,5-triazine

ametryn

Refernces

• 1、 -. "Stable isotope labeled atrazine-d5 and synthesis method thereof". Paragraph 0025-0029. . Retrieved 2021/01/04.
• 2、 Zavodskaya, Anna V.,Bakharev, Vladimir V.,Parfenov, Victor E.,Gidaspov, Alexander A.,Slepukhin, Pavel A.,Isenov, Maksim L.,Eltsov, Oleg S.. "Synthesis of new 5-aza-isosteres of guanine containing aryl and hetaryl substituents on the 1,2,4-triazole ring". . p. 1103 - 1106. Retrieved 2015/02/19.